2-13-Conotoxin G I
[CAS# 92137-82-1]

Identification

• Name: 2-13-Conotoxin G I
• Synonyms: Conotoxin G1 (reduced), 1-de-L-glutamic acid-, cyclic (2-7),(3-13)-bis(disulfide); Conotoxin GI, des-glu(1)-
• Molecular Formula: C₅₀H₇₃N₁₉O₁₅S₄
• Molecular Weight: 1308.49
• CAS Registry Number: 92137-82-1
• SMILES: O=C1N[C@@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CSSC[C@@H]1NC(=O)[C@@H](N)CSSC2)CO)Cc3ccc(O)cc3)Cc4cncn4)CCC/N=C(\N)N)C)CC(=O)N
• InChI: 1S/C50H73N19O15S4/c1-23-40(75)67-34-20-87-85-18-27(51)41(76)68-35(47(82)64-31(14-37(52)72)49(84)69-11-3-5-36(69)48(83)60-23)21-88-86-19-33(39(53)74)66-46(81)32(17-70)65-44(79)29(12-24-6-8-26(71)9-7-24)62-45(80)30(13-25-15-56-22-59-25)63-43(78)28(4-2-10-57-50(54)55)61-38(73)16-58-42(34)77/h6-9,15,22-23,27-36,70-71H,2-5,10-14,16-21,51H2,1H3,(H2,52,72)(H2,53,74)(H,56,59)(H,58,77)(H,60,83)(H,61,73)(H,62,80)(H,63,78)(H,64,82)(H,65,79)(H,66,81)(H,67,75)(H,68,76)(H4,54,55,57)/t23-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m0/s1
• InChIKey: FTMXUWWSNKVHRM-WBNIZOEDSA-N

Properties

• Density: 1.717g/cm³ (Cal.)